[gmx-users] *.xtc file is not getting created by mdrun program :(

[Justin A. Lemkul]

Bharath.K. Chakravarthi wrote:
> sir should i set dat to 0 or what to do....
> 

I clearly stated that you should set nstxtcout > 0 in my first message.  Leaving 
any output control parameter set to zero means "produce output every zero steps" 
or essentially, not at all.

-Justin

> 
> On Wed, Apr 14, 2010 at 5:32 AM, Bharath.K. Chakravarthi 
> <bharath.chakravarthi at gmail.com <mailto:bharath.chakravarthi at gmail.com>> 
> wrote:
> 
> 
> 
>     On Wed, Apr 14, 2010 at 5:31 AM, Bharath.K. Chakravarthi
>     <bharath.chakravarthi at gmail.com
>     <mailto:bharath.chakravarthi at gmail.com>> wrote:
> 
>         Thank you for your kind replay sir....
>         sir in my .mdp file there is nstxtout instead of nstxtcout sir
>         and it is set to 500
>         is this what u told...
>         i have also attached the .mdp file in this mail sir
> 
>         On Wed, Apr 14, 2010 at 5:18 AM, Justin A. Lemkul
>         <jalemkul at vt.edu <mailto:jalemkul at vt.edu>> wrote:
> 
> 
> 
>             Bharath.K. Chakravarthi wrote:
> 
>                 hi there i tried to run MD and i wanted to use *.xtc
>                 file in vmd to visualize the protein but unfortunately
>                 there is no such file i given the command like this
>                 mdrun -nice 0 -v -s input3.tpr -o md_traj.trr -x
>                 md_traj.xtc -c md_final.gro -e md_ener.edr
>                 as procedure this should create md_traj.xtc file rite.....
> 
> 
>             Provided that you have set nstxtcout > 0 in the .mdp file.
>              The default is 0 (no .xtc file).  Consult the manual for
>             appropriate settings.
> 
>             -Justin
> 
> 
>                 so please can u help me out of this mesh.......
> 
>                 -- 
>                 Bharath.K.Chakravarthi
>                 Ph:9535629260
> 
> 
>             -- 
>             ========================================
> 
>             Justin A. Lemkul
>             Ph.D. Candidate
>             ICTAS Doctoral Scholar
>             MILES-IGERT Trainee
>             Department of Biochemistry
>             Virginia Tech
>             Blacksburg, VA
>             jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
>             http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> 
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> 
> 
> 
>         -- 
>         Bharath.K.Chakravarthi
>         Ph:9535629260
> 
> 
> 
> 
>     -- 
>     Bharath.K.Chakravarthi
>     Ph:9535629260
> 
> 
> 
> 
> -- 
> Bharath.K.Chakravarthi
> Ph:9535629260

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================